6-amino-1H-1,3,5-triazine-2,4-dione;1,3,5-triazine-2,4,6-triamine

C6H10N10O2 — CID 69404310

IUPAC6-amino-1H-1,3,5-triazine-2,4-dione;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(=O)[nH]c(=O)[nH]1.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C3H4N4O2/c4-1-7-2(5)9-3(6)8-1;4-1-5-2(8)7-3(9)6-1/h(H6,4,5,6,7,8,9);(H4,4,5,6,7,8,9)
InChIKeyLARDZKSUZQELMS-UHFFFAOYSA-N
MW254.21 g/mol
LogP-3.34
Rot. Bonds

About 6-amino-1H-1,3,5-triazine-2,4-dione;1,3,5-triazine-2,4,6-triamine

6-amino-1H-1,3,5-triazine-2,4-dione;1,3,5-triazine-2,4,6-triamine (PubChem CID 69404310) has the molecular formula C6H10N10O2 and a molecular weight of 254.21 g/mol. Its IUPAC name is 6-amino-1H-1,3,5-triazine-2,4-dione;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-amino-1H-1,3,5-triazine-2,4-dione;1,3,5-triazine-2,4,6-triamine
PubChem CID69404310
Molecular FormulaC6H10N10O2
Molecular Weight254.21 g/mol
Exact Mass254.10
IUPAC Name6-amino-1H-1,3,5-triazine-2,4-dione;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(=O)[nH]c(=O)[nH]1.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C3H4N4O2/c4-1-7-2(5)9-3(6)8-1;4-1-5-2(8)7-3(9)6-1/h(H6,4,5,6,7,8,9);(H4,4,5,6,7,8,9)
InChIKeyLARDZKSUZQELMS-UHFFFAOYSA-N
XLogP-3.34
TPSA221.36 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.21
LogP ≤ 5-3.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1H-1,3,5-triazine-2,4-dione;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-amino-1H-1,3,5-triazine-2,4-dione;1,3,5-triazine-2,4,6-triamine (CID 69404310) is 6-amino-1H-1,3,5-triazine-2,4-dione;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-amino-1H-1,3,5-triazine-2,4-dione;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-amino-1H-1,3,5-triazine-2,4-dione;1,3,5-triazine-2,4,6-triamine is Nc1nc(=O)[nH]c(=O)[nH]1.Nc1nc(N)nc(N)n1.
What is the InChIKey of 6-amino-1H-1,3,5-triazine-2,4-dione;1,3,5-triazine-2,4,6-triamine?
The InChIKey is LARDZKSUZQELMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C3H4N4O2/c4-1-7-2(5)9-3(6)8-1;4-1-5-2(8)7-3(9)6-1/h(H6,4,5,6,7,8,9);(H4,4,5,6,7,8,9).
What are the key properties of 6-amino-1H-1,3,5-triazine-2,4-dione;1,3,5-triazine-2,4,6-triamine?
6-amino-1H-1,3,5-triazine-2,4-dione;1,3,5-triazine-2,4,6-triamine has a molecular weight of 254.21 g/mol, XLogP of -3.34, 0 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1H-1,3,5-triazine-2,4-dione;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 69404310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).